1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine

C14H25N5 — CID 112670015

IUPAC1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine
SMILESCCc1nn(C)cc1CN1CCN(C2CNC2)CC1
InChIInChI=1S/C14H25N5/c1-3-14-12(10-17(2)16-14)11-18-4-6-19(7-5-18)13-8-15-9-13/h10,13,15H,3-9,11H2,1-2H3
InChIKeyYXYWCWFRPHFCGM-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.07
Rot. Bonds4

About 1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine

1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine (PubChem CID 112670015) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine
PubChem CID112670015
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine
SMILESCCc1nn(C)cc1CN1CCN(C2CNC2)CC1
InChIInChI=1S/C14H25N5/c1-3-14-12(10-17(2)16-14)11-18-4-6-19(7-5-18)13-8-15-9-13/h10,13,15H,3-9,11H2,1-2H3
InChIKeyYXYWCWFRPHFCGM-UHFFFAOYSA-N
XLogP0.07
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperazine
CID 103918004
N-cyclopropyl-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 112672079
2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
CID 66203343
(2S)-2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 124614801
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 112672077
(4aS,7aS)-6-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103918281
6-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678610
1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one
CID 75515986
3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole
CID 112671869
(2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone
CID 75515946
1-(azetidin-3-yl)-4-[(2-nitrophenyl)methyl]piperazine
CID 66201551
3-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 66202944

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine (CID 112670015) is 1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine is CCc1nn(C)cc1CN1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine?
The InChIKey is YXYWCWFRPHFCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-3-14-12(10-17(2)16-14)11-18-4-6-19(7-5-18)13-8-15-9-13/h10,13,15H,3-9,11H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine?
1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine has a molecular weight of 263.39 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 112670015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).